smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)NC(C)=O	ZINC000026476283	202143807	/nfs/dbraw/zinc/14/38/07/202143807.db2.gz	OHZFSKTZLOXICG-LBPRGKRZSA-N	-2	0	331.261	0.768	1	0		ECAFRL
Cc1c(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])ccc2nc(N)[nH]c(=O)c12	ZINC000025966706	202138013	/nfs/dbraw/zinc/13/80/13/202138013.db2.gz	DELHTCXMMIFCPQ-SECBINFHSA-N	-2	0	348.315	0.274	1	0		ECAFRL
O=C([O-])Cc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nc(C(=O)[O-])cn12	ZINC000026659770	202146299	/nfs/dbraw/zinc/14/62/99/202146299.db2.gz	XMGKNMJESPOXJS-UHFFFAOYSA-N	-2	0	325.280	0.919	1	0		ECAFRL
C[C@@H](C(=O)[O-])[C@H]1Cc2c(cc3c(c2[O-])C(=O)N([C@H](C)C(=O)[O-])C3=O)O1	ZINC000098084781	219080967	/nfs/dbraw/zinc/08/09/67/219080967.db2.gz	VQOAQUIDELNUAB-HCVRKRLWSA-N	-3	0	349.295	0.486	1	0		ECAFRL
COc1cc(/C=C/C(=O)[O-])cc(OC)c1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC000001529545	560180922	/nfs/dbraw/zinc/18/09/22/560180922.db2.gz	SVOZVFTXNDIEBH-NWALNABHSA-N	-2	0	340.284	0.543	1	0	in-vitro	ECAFRL
O=C([O-])C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C1OCCO1)C2	ZINC000027518370	212560762	/nfs/dbraw/zinc/56/07/62/212560762.db2.gz	WWNAPOMUXWPEFB-ZCFIWIBFSA-N	-2	0	341.341	0.947	1	0		ECAFRL
O=C([O-])C(=O)Nc1nc(-c2ccc(NC(=O)C(=O)[O-])cc2)cs1	ZINC000040466993	213310613	/nfs/dbraw/zinc/31/06/13/213310613.db2.gz	MTRGEVXUEABALD-UHFFFAOYSA-N	-2	0	335.297	0.856	1	0		ECAFRL
CC1(C)S[C@@H]2[C@H](NC(=O)CCCCC(=O)[O-])C(=O)N2[C@H]1C(=O)[O-]	ZINC000029347860	212663564	/nfs/dbraw/zinc/66/35/64/212663564.db2.gz	XVGKDSRSKWWHJS-JFGNBEQYSA-N	-2	0	344.389	0.263	1	0		ECAFRL
CC1(C)N2Cc3ccccc3C[C@H]2C(=O)N1[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000066251806	215026281	/nfs/dbraw/zinc/02/62/81/215026281.db2.gz	RVEUHGDYFPCBCF-STQMWFEESA-N	-2	0	332.356	0.920	1	0		ECAFRL
O=C([O-])[C@H](CCCCCCOP(=O)([O-])[O-])OP(=O)([O-])[O-]	ZINC000073221826	216366684	/nfs/dbraw/zinc/36/66/84/216366684.db2.gz	XJCPKCPEWWOZEP-ZETCQYMHSA-N	-5	0	336.170	0.609	1	0		ECAFRL
CC1(C)S[C@H](C(=O)[O-])[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])S1	ZINC000066074916	215006485	/nfs/dbraw/zinc/00/64/85/215006485.db2.gz	RUJMQRWYLZLSIT-JHYUDYDFSA-N	-3	0	337.375	0.068	1	0		ECAFRL
[NH3+][C@@H](CC[P@@](=O)([O-])[C@H](O)c1ccc(OCC(=O)[O-])cc1)C(=O)[O-]	ZINC000103270005	219280096	/nfs/dbraw/zinc/28/00/96/219280096.db2.gz	BGOFVWMHMQISHB-GWCFXTLKSA-N	-2	0	347.260	0.213	1	0	in-vitro	ECAFRL
O=P([O-])([O-])OC1=c2cc(Br)c(Cl)cc2=NC1	ZINC000086863966	436395865	/nfs/dbraw/zinc/39/58/65/436395865.db2.gz	WXUROYNPGOSWHO-UHFFFAOYSA-N	-2	0	326.470	0.953	2	0		ECAFRL
Cc1ccnc(NC(=O)[N-]S(=O)(=O)c2ccccc2C(=O)[O-])n1	ZINC000103209083	219270370	/nfs/dbraw/zinc/27/03/70/219270370.db2.gz	RWRAIUZGUDAXDR-UHFFFAOYSA-N	-2	0	336.329	0.994	1	0		ECAFRL
Cc1ncc(COP(=O)([O-])[O-])c(C[NH2+]CCCC(=O)[O-])c1O	ZINC000013521244	560218440	/nfs/dbraw/zinc/21/84/40/560218440.db2.gz	DOHWOHSLOVXAFH-UHFFFAOYSA-N	-2	0	334.265	0.659	1	0	in-vitro	ECAFRL
Nc1ccn([C@@H]2CS[C@H](CO[P@](=O)([O-])C(=O)[O-])O2)c(=O)n1	ZINC000026285967	202141931	/nfs/dbraw/zinc/14/19/31/202141931.db2.gz	YXRYHVOXZABZAA-NKWVEPMBSA-N	-2	0	337.250	0.294	1	0		ECAFRL
Cc1c(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])ccc2nc(N)nc(N)c12	ZINC000025971385	202138006	/nfs/dbraw/zinc/13/80/06/202138006.db2.gz	AUDXDSRGCVXLIU-VIFPVBQESA-N	-2	0	347.331	0.150	1	0		ECAFRL
Nc1nc2c(ncn2CCCCC(F)(F)P(=O)([O-])[O-])c(=O)[nH]1	ZINC000003799963	581100076	/nfs/dbraw/zinc/10/00/76/581100076.db2.gz	JANQQPWTLXUSCD-UHFFFAOYSA-N	-2	0	337.223	0.643	1	0	in-vivo	ECAFRL
Cc1c(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])ccc2nc(N)nc(N)c12	ZINC000025971392	202137688	/nfs/dbraw/zinc/13/76/88/202137688.db2.gz	AUDXDSRGCVXLIU-SECBINFHSA-N	-2	0	347.331	0.150	1	0		ECAFRL
C[C@@H](C(=O)[O-])[C@@H]1Cc2c(cc3c(c2[O-])C(=O)N(CC(=O)[O-])C3=O)O1	ZINC000013896054	201057331	/nfs/dbraw/zinc/05/73/31/201057331.db2.gz	STECRJVPIXRLSR-XRGYYRRGSA-N	-2	0	335.268	0.097	1	0		ECAFRL
CC[C@@H]([NH2+]Cc1c(COP(=O)([O-])[O-])cnc(C)c1O)C(=O)[O-]	ZINC000002047163	560186349	/nfs/dbraw/zinc/18/63/49/560186349.db2.gz	VRMPGTOTVVJQMU-SNVBAGLBSA-N	-2	0	334.265	0.658	1	0	in-vitro	ECAFRL
CC1(C)S[C@H](C(=O)[O-])[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])S1	ZINC000066074915	215007022	/nfs/dbraw/zinc/00/70/22/215007022.db2.gz	RUJMQRWYLZLSIT-QTSITTDLSA-N	-3	0	337.375	0.068	1	0		ECAFRL
Nc1nc2c(ncn2CC[C@@H]2C[C@H]2C(F)(F)P(=O)([O-])[O-])c(=O)[nH]1	ZINC000026719629	581100151	/nfs/dbraw/zinc/10/01/51/581100151.db2.gz	YJOJXOBQNSPCAC-PHDIDXHHSA-N	-2	0	349.234	0.499	1	0		ECAFRL
Nc1nc(-c2ccc(P(=O)([O-])[O-])o2)c(N2CCOCC2)s1	ZINC000066104661	215012987	/nfs/dbraw/zinc/01/29/87/215012987.db2.gz	DXTSCJAOOQJSMP-UHFFFAOYSA-N	-2	0	331.290	0.625	1	0		ECAFRL
O=C([O-])[C@@H](CCCCCCOP(=O)([O-])[O-])OP(=O)([O-])[O-]	ZINC000073221830	216367136	/nfs/dbraw/zinc/36/71/36/216367136.db2.gz	XJCPKCPEWWOZEP-SSDOTTSWSA-N	-5	0	336.170	0.609	1	0		ECAFRL
C[C@@](O)(CCO[P@@](=O)([O-])OP(=O)([O-])[O-])C(F)(F)C(=O)[O-]	ZINC000040592123	213356961	/nfs/dbraw/zinc/35/69/61/213356961.db2.gz	TYAGFMDNISQMRJ-RXMQYKEDSA-N	-4	0	344.096	0.074	1	0	in-vitro	ECAFRL
O=C([O-])C[C@H](NC(=O)c1cc(-c2ccc3c(c2)OCO3)no1)C(=O)[O-]	ZINC000102318786	219194055	/nfs/dbraw/zinc/19/40/55/219194055.db2.gz	HRIDQTNXKUEEQC-VIFPVBQESA-N	-2	0	348.267	0.728	1	0		ECAFRL
CC(=O)c1cc(NC(=O)C(=O)[O-])c(Cl)c(NC(=O)C(=O)[O-])c1	ZINC000039333578	213235080	/nfs/dbraw/zinc/23/50/80/213235080.db2.gz	MJUGSOPGABZHML-UHFFFAOYSA-N	-2	0	328.664	0.589	1	0		ECAFRL
[NH3+][C@@H](CC[P@@](=O)([O-])[C@@H](O)c1ccc(OCC(=O)[O-])cc1)C(=O)[O-]	ZINC000103270007	219279986	/nfs/dbraw/zinc/27/99/86/219279986.db2.gz	BGOFVWMHMQISHB-GXFFZTMASA-N	-2	0	347.260	0.213	1	0	in-vitro	ECAFRL
O=C([O-])C/C=C/C[C@@H]1[C@@H](CCC(=O)CCC(=O)[O-])[C@@H](O)C[C@@H]1O	ZINC000144984517	436677978	/nfs/dbraw/zinc/67/79/78/436677978.db2.gz	XSGSZQDCVYMZGQ-LLKIENLASA-N	-2	0	328.361	0.979	2	0		ECAFRL
O=c1[nH]cnc2c1ncn2CC[C@@H]1C[C@H]1C(F)(F)P(=O)([O-])[O-]	ZINC000004805684	210281588	/nfs/dbraw/zinc/28/15/88/210281588.db2.gz	QVQSDTSXZCLYNT-RNFRBKRXSA-N	-2	0	334.219	0.916	1	0		ECAFRL
Cc1c(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])ccc2nc(N)[nH]c(=O)c12	ZINC000025966700	212502444	/nfs/dbraw/zinc/50/24/44/212502444.db2.gz	DELHTCXMMIFCPQ-VIFPVBQESA-N	-2	0	348.315	0.274	1	0		ECAFRL
Nc1nc(-c2ccc(P(=O)([O-])[O-])o2)c(CN2CCOCC2)s1	ZINC000066104656	215012565	/nfs/dbraw/zinc/01/25/65/215012565.db2.gz	HXFVXQADKACGDT-UHFFFAOYSA-N	-2	0	345.317	0.621	1	0		ECAFRL
CC(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)/C=C\c1ccc(O)cc1)C(=O)[O-]	ZINC000033830085	290953350	/nfs/dbraw/zinc/95/33/50/290953350.db2.gz	AILCSCQIQZTQJR-KNUBNCPHSA-N	-2	0	338.268	0.418	1	0	biogenic,in-vitro	ECAFRL
O=C([O-])Cc1cn2c3c([nH]c(=O)c2n1)-c1cccc(CC(=O)[O-])c1C3	ZINC000000022476	208551032	/nfs/dbraw/zinc/55/10/32/208551032.db2.gz	QNZTYBLLVQDSEL-UHFFFAOYSA-N	-2	0	339.307	0.848	1	0		ECAFRL
CC1(C)S[C@@H](C(=O)[O-])[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])S1	ZINC000066074914	215006560	/nfs/dbraw/zinc/00/65/60/215006560.db2.gz	RUJMQRWYLZLSIT-UBKIQSJTSA-N	-3	0	337.375	0.068	1	0		ECAFRL